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3-Phenylamino-5-[N-(3-methylamino)propyl]-1,2,4-triazole
SpectraBase Compound ID DrknbkQT4NQ
InChI InChI=1S/C12H17N5/c1-13-9-5-8-11-15-12(17-16-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H2,14,15,16,17)
InChIKey HERWEPUCKVBWPM-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C12H17N5
Exact Mass 231.148396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3IXDPSkXGi
Name 3-Phenylamino-5-[N-(3-methylamino)propyl]-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N5
InChI InChI=1S/C12H17N5/c1-13-9-5-8-11-15-12(17-16-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H2,14,15,16,17)
InChIKey HERWEPUCKVBWPM-UHFFFAOYSA-N
Molecular Weight 231.303 g/mol
SMILES [nH]1nc(nc1CCCNC)Nc1ccccc1
SPLASH splash10-00di-3900000000-1996e25f50ef5072580d
Source of Spectrum SO-0-676-17
Synonyms 5-[3-(methylamino)propyl]-N-phenyl-1H-1,2,4-triazol-3-amine N-[3-(3-anilino-1H-1,2,4-triazol-5-yl)propyl]-N-methylamine
Wiley ID 1541001